7ZJU
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7ZJS
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7ZJQ
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7ZJP
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![BU of 7zjp by Molmil](/molmil-images/mine/7zjp) | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | Deposit date: | 2022-04-11 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 . J.Med.Chem., 65, 2022
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7ZJF
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![BU of 7zjf by Molmil](/molmil-images/mine/7zjf) | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | Descriptor: | Growth/differentiation factor 5 | Authors: | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | Deposit date: | 2022-04-10 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis. Arthritis Rheumatol, 75, 2023
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7ZJ0
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![BU of 7zj0 by Molmil](/molmil-images/mine/7zj0) | X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentylmethanesulfonamide tetramethylrhodamine ligand (TMR-S5) | Descriptor: | GLYCEROL, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | Deposit date: | 2022-04-08 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy. J.Am.Chem.Soc., 145, 2023
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7ZIZ
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![BU of 7ziz by Molmil](/molmil-images/mine/7ziz) | X-ray structure of the dead variant haloalkane dehalogenase HaloTag7-D106A bound to a pentanol tetramethylrhodamine ligand (TMR-Hy5) | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | Deposit date: | 2022-04-08 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy. J.Am.Chem.Soc., 145, 2023
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7ZIV
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![BU of 7ziv by Molmil](/molmil-images/mine/7ziv) | X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR) | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | Deposit date: | 2022-04-08 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR) To Be Published
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7ZIT
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![BU of 7zit by Molmil](/molmil-images/mine/7zit) | 14-3-3 in complex with SARS-COV2 N phospho-peptide | Descriptor: | 14-3-3 protein zeta/delta, ACETATE ION, BENZOIC ACID, ... | Authors: | Eisenreichova, A, Boura, E. | Deposit date: | 2022-04-08 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural basis for SARS-CoV-2 nucleocapsid (N) protein recognition by 14-3-3 proteins. J.Struct.Biol., 214, 2022
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7ZIO
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![BU of 7zio by Molmil](/molmil-images/mine/7zio) | JC Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromolecules (aromatic linker) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | Deposit date: | 2022-04-08 | Release date: | 2022-12-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins. Biomacromolecules, 23, 2022
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7ZIK
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![BU of 7zik by Molmil](/molmil-images/mine/7zik) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP533401 | Descriptor: | (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Heinemann, U. | Deposit date: | 2022-04-08 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.58925915 Å) | Cite: | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIJ
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![BU of 7zij by Molmil](/molmil-images/mine/7zij) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080 | Descriptor: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2022-04-08 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94678366 Å) | Cite: | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZII
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![BU of 7zii by Molmil](/molmil-images/mine/7zii) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193 | Descriptor: | 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione, FE (III) ION, GLYCEROL, ... | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2022-04-08 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6280005 Å) | Cite: | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIH
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![BU of 7zih by Molmil](/molmil-images/mine/7zih) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128 | Descriptor: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | Authors: | Schuetz, A, Gogolin, A, Pfeifer, J, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2022-04-08 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46890831 Å) | Cite: | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIG
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![BU of 7zig by Molmil](/molmil-images/mine/7zig) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060 | Descriptor: | (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2022-04-08 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.808885 Å) | Cite: | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIF
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![BU of 7zif by Molmil](/molmil-images/mine/7zif) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480 | Descriptor: | (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid, FE (III) ION, GLYCEROL, ... | Authors: | Schuetz, A, Ziebart, N, Weise, M, Mallow, K, Pfeifer, J, Nazare, M, Specker, E, Heinemann, U. | Deposit date: | 2022-04-08 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86859715 Å) | Cite: | Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 65, 2022
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7ZIE
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7ZID
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7ZIC
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7ZI0
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![BU of 7zi0 by Molmil](/molmil-images/mine/7zi0) | Structure of human Smoothened in complex with cholesterol and SAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide, CHOLESTEROL, ... | Authors: | Byrne, E.F.X, Woolley, R.E, Ansell, B, Sansom, M.S.P, Newstead, S, Siebold, C. | Deposit date: | 2022-04-07 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain. Sci Adv, 8, 2022
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7ZHZ
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7ZHY
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7ZHX
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7ZHW
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7ZHV
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![BU of 7zhv by Molmil](/molmil-images/mine/7zhv) | |